1-N-[2-(3,4-difluorophenyl)-2-methylpropyl]propane-1,2-diamine

C13H20F2N2 — CID 115197053

IUPAC1-N-[2-(3,4-difluorophenyl)-2-methylpropyl]propane-1,2-diamine
SMILESCC(N)CNCC(C)(C)c1ccc(F)c(F)c1
InChIInChI=1S/C13H20F2N2/c1-9(16)7-17-8-13(2,3)10-4-5-11(14)12(15)6-10/h4-6,9,17H,7-8,16H2,1-3H3
InChIKeyZNWJLINEMDSMPN-UHFFFAOYSA-N
MW242.31 g/mol
LogP2.18
Rot. Bonds5

About 1-N-[2-(3,4-difluorophenyl)-2-methylpropyl]propane-1,2-diamine

1-N-[2-(3,4-difluorophenyl)-2-methylpropyl]propane-1,2-diamine (PubChem CID 115197053) has the molecular formula C13H20F2N2 and a molecular weight of 242.31 g/mol. Its IUPAC name is 1-N-[2-(3,4-difluorophenyl)-2-methylpropyl]propane-1,2-diamine.

Molecular Properties

Compound Name1-N-[2-(3,4-difluorophenyl)-2-methylpropyl]propane-1,2-diamine
PubChem CID115197053
Molecular FormulaC13H20F2N2
Molecular Weight242.31 g/mol
Exact Mass242.16
IUPAC Name1-N-[2-(3,4-difluorophenyl)-2-methylpropyl]propane-1,2-diamine
SMILESCC(N)CNCC(C)(C)c1ccc(F)c(F)c1
InChIInChI=1S/C13H20F2N2/c1-9(16)7-17-8-13(2,3)10-4-5-11(14)12(15)6-10/h4-6,9,17H,7-8,16H2,1-3H3
InChIKeyZNWJLINEMDSMPN-UHFFFAOYSA-N
XLogP2.18
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.31
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[2-(3,4-difluorophenyl)-2-methylpropyl]amino]propane-1,2-diol
CID 115122499
N-(bromomethyl)-2-(3,4-difluorophenyl)-2-methylpropan-1-amine
CID 115262544
2-[[2-(3,4-difluorophenyl)-2-methylpropyl]amino]acetaldehyde
CID 115223528
3-[[2-(3,4-difluorophenyl)-2-methylpropyl]amino]-2,2-dimethylpropanenitrile
CID 115234381
1-N-[2-(4-ethoxyphenyl)-2-methylpropyl]propane-1,2-diamine
CID 115197050
1-N-[2-(3-fluoro-4-methoxyphenyl)-2-methylpropyl]butane-1,3-diamine
CID 115199716
N-[2-(3,4-difluorophenyl)-2-methylpropyl]-2-hydroxypropanamide
CID 115141139
2-[[[2-(4-fluoro-3-methylphenyl)-2-methylpropyl]amino]methyl]butan-1-ol
CID 115251149
N'-[2-(4-fluoro-3-methylphenyl)-2-methylpropyl]-N-methylethane-1,2-diamine
CID 115196149
N-[2-(3,4-difluorophenyl)-2-methylpropyl]-2-oxopropanamide
CID 115176125
2-[[2-(4-fluoro-3-methylphenyl)-2-methylpropyl]amino]ethanethiol
CID 115224465
1-N-[2-(3,4-difluorophenyl)-2-methylpropyl]cyclopentane-1,2-diamine
CID 115117729

Frequently Asked Questions

What is the IUPAC name of 1-N-[2-(3,4-difluorophenyl)-2-methylpropyl]propane-1,2-diamine?
The IUPAC name of 1-N-[2-(3,4-difluorophenyl)-2-methylpropyl]propane-1,2-diamine (CID 115197053) is 1-N-[2-(3,4-difluorophenyl)-2-methylpropyl]propane-1,2-diamine.
What is the SMILES notation for 1-N-[2-(3,4-difluorophenyl)-2-methylpropyl]propane-1,2-diamine?
The canonical SMILES for 1-N-[2-(3,4-difluorophenyl)-2-methylpropyl]propane-1,2-diamine is CC(N)CNCC(C)(C)c1ccc(F)c(F)c1.
What is the InChIKey of 1-N-[2-(3,4-difluorophenyl)-2-methylpropyl]propane-1,2-diamine?
The InChIKey is ZNWJLINEMDSMPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F2N2/c1-9(16)7-17-8-13(2,3)10-4-5-11(14)12(15)6-10/h4-6,9,17H,7-8,16H2,1-3H3.
What are the key properties of 1-N-[2-(3,4-difluorophenyl)-2-methylpropyl]propane-1,2-diamine?
1-N-[2-(3,4-difluorophenyl)-2-methylpropyl]propane-1,2-diamine has a molecular weight of 242.31 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[2-(3,4-difluorophenyl)-2-methylpropyl]propane-1,2-diamine is sourced from PubChem (CID 115197053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).